Vitas-M small molecule compound
ethyl 6-amino-4-[3-(benzyloxy)phenyl]-5-cyano-2-{[(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Catalog ID
STK669457
SMILES CCOC(=O)C1=C(CSc2nc(CC)c(cc2C#N)C)OC(=C(C1c1cccc(c1)OCc1ccccc1)C#N)N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H30N4O4S MW 566.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N4O4S/c1-4-26-20(3)14-23(16-33)31(36-26)41-19-27-29(32(37)38-5-2)28(25(17-34)30(35)40-27)22-12-9-13-24(15-22)39-18-21-10-7-6-8-11-21/h6-15,28H,4-5,18-19,35H2,1-3H3InChIKey
KRPBGDCDQSREIV-UHFFFAOYSA-NSynonyms
CCC1=C(C=C(C(=N1)SCC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OCC)C#N)C
ETHYL(4S)6AMINO4(3(BENZYLOXY)PHENYL)5CYANO2(((3CYANO6ETHYL5METHYLPYRIDIN2YL)SULFANYL)METHYL)4HPYRAN3CARBOXYLATE
ethyl6amino4(3(benzyloxy)phenyl)5cyano2(((3cyano6ethyl5methylpyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(3(benzyloxy)phenyl)5cyano2(((3cyano6ethyl5methylpyridin2yl)thio)methyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2((3CYANO6ETHYL5METHYLPYRIDIN2YL)SULFANYLMETHYL)4(3PHENYLMETHOXYPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC32H30N4O4Sc142620(3)1423(1633)31(3626)41192729(32(37)3852)28(25(1734)30(35)4027)221291324(1522)391821107681121h61528H45181935H213H3
MFCD00743618
ZINC000001758297
ZINC000053290818
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